Jan Hamaekers

Employment

• Fraunhofer-Gesellschaft Head of Department

Education

Education history is unavailable.

Projects & Funding

Projects & funding information is unavailable.

Publications (43)

• Flexible cutoff learning: optimizing machine learning potentials after training
  Machine Learning: Science and Technology 2026 DOI: 10.1088/2632-2153/ae9239
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• An informed regression-based knowledge distillation framework for simultaneous prediction of physical and mechanical properties of thermoset epoxy polymers
  Scientific Reports 2026 DOI: 10.1038/s41598-026-61931-7
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• On Multilevel Energy‐Based Fragmentation Methods
  International Journal of Quantum Chemistry 2026 DOI: 10.1002/qua.70128
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• Multitask learning via task embeddings for glass property prediction with improved sample efficiency
  Computational Materials Science 2026 DOI: 10.1016/j.commatsci.2025.114407
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• Materium: An autoregressive approach for material generation
  Computational Materials Science 2026 DOI: 10.1016/j.commatsci.2026.114980
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• Multi-fidelity learning for atomistic models via trainable data embeddings
  Machine Learning: Science and Technology 2025 DOI: 10.1088/2632-2153/ae0d41
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• Feature-based prediction of properties of cross-linked epoxy polymers by molecular dynamics and machine learning techniques
  Modelling and Simulation in Materials Science and Engineering 2025 DOI: 10.1088/1361-651X/adf56c
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• ConfRank+: Extending Conformer Ranking to Charged Molecules
  Journal of Chemical Information and Modeling 2025 DOI: 10.1021/acs.jcim.5c01259
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• ConfRank: Improving GFN-FF Conformer Ranking with Pairwise Training
  Journal of Chemical Information and Modeling 2024 DOI: 10.1021/acs.jcim.4c01524
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• Llamol: a dynamic multi-conditional generative transformer for de novo molecular design
  Journal of Cheminformatics 2024 DOI: 10.48550/arXiv.2311.14407
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